4-[1-(4-hydroxy-3,5-dimethylphenyl)-3-(2-methylbutan-2-yl)cyclohexyl]-2,6-dimethylphenol

C27H38O2 — CID 23188641

IUPAC4-[1-(4-hydroxy-3,5-dimethylphenyl)-3-(2-methylbutan-2-yl)cyclohexyl]-2,6-dimethylphenol
SMILESCCC(C)(C)C1CCCC(c2cc(C)c(O)c(C)c2)(c2cc(C)c(O)c(C)c2)C1
InChIInChI=1S/C27H38O2/c1-8-26(6,7)21-10-9-11-27(16-21,22-12-17(2)24(28)18(3)13-22)23-14-19(4)25(29)20(5)15-23/h12-15,21,28-29H,8-11,16H2,1-7H3
InChIKeyFNPWRAAEKHQMOL-UHFFFAOYSA-N
MW394.60 g/mol
LogP7.24
Rot. Bonds4

About 4-[1-(4-hydroxy-3,5-dimethylphenyl)-3-(2-methylbutan-2-yl)cyclohexyl]-2,6-dimethylphenol

4-[1-(4-hydroxy-3,5-dimethylphenyl)-3-(2-methylbutan-2-yl)cyclohexyl]-2,6-dimethylphenol (PubChem CID 23188641) has the molecular formula C27H38O2 and a molecular weight of 394.60 g/mol. Its IUPAC name is 4-[1-(4-hydroxy-3,5-dimethylphenyl)-3-(2-methylbutan-2-yl)cyclohexyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[1-(4-hydroxy-3,5-dimethylphenyl)-3-(2-methylbutan-2-yl)cyclohexyl]-2,6-dimethylphenol
PubChem CID23188641
Molecular FormulaC27H38O2
Molecular Weight394.60 g/mol
Exact Mass394.29
IUPAC Name4-[1-(4-hydroxy-3,5-dimethylphenyl)-3-(2-methylbutan-2-yl)cyclohexyl]-2,6-dimethylphenol
SMILESCCC(C)(C)C1CCCC(c2cc(C)c(O)c(C)c2)(c2cc(C)c(O)c(C)c2)C1
InChIInChI=1S/C27H38O2/c1-8-26(6,7)21-10-9-11-27(16-21,22-12-17(2)24(28)18(3)13-22)23-14-19(4)25(29)20(5)15-23/h12-15,21,28-29H,8-11,16H2,1-7H3
InChIKeyFNPWRAAEKHQMOL-UHFFFAOYSA-N
XLogP7.24
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.60
LogP ≤ 57.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-hydroxy-3,5-dimethylphenyl)-3-(2-methylbutan-2-yl)cyclohexyl]-2,6-dimethylphenol?
The IUPAC name of 4-[1-(4-hydroxy-3,5-dimethylphenyl)-3-(2-methylbutan-2-yl)cyclohexyl]-2,6-dimethylphenol (CID 23188641) is 4-[1-(4-hydroxy-3,5-dimethylphenyl)-3-(2-methylbutan-2-yl)cyclohexyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[1-(4-hydroxy-3,5-dimethylphenyl)-3-(2-methylbutan-2-yl)cyclohexyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[1-(4-hydroxy-3,5-dimethylphenyl)-3-(2-methylbutan-2-yl)cyclohexyl]-2,6-dimethylphenol is CCC(C)(C)C1CCCC(c2cc(C)c(O)c(C)c2)(c2cc(C)c(O)c(C)c2)C1.
What is the InChIKey of 4-[1-(4-hydroxy-3,5-dimethylphenyl)-3-(2-methylbutan-2-yl)cyclohexyl]-2,6-dimethylphenol?
The InChIKey is FNPWRAAEKHQMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38O2/c1-8-26(6,7)21-10-9-11-27(16-21,22-12-17(2)24(28)18(3)13-22)23-14-19(4)25(29)20(5)15-23/h12-15,21,28-29H,8-11,16H2,1-7H3.
What are the key properties of 4-[1-(4-hydroxy-3,5-dimethylphenyl)-3-(2-methylbutan-2-yl)cyclohexyl]-2,6-dimethylphenol?
4-[1-(4-hydroxy-3,5-dimethylphenyl)-3-(2-methylbutan-2-yl)cyclohexyl]-2,6-dimethylphenol has a molecular weight of 394.60 g/mol, XLogP of 7.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-hydroxy-3,5-dimethylphenyl)-3-(2-methylbutan-2-yl)cyclohexyl]-2,6-dimethylphenol is sourced from PubChem (CID 23188641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).